SCHEMBL3545327

SCHEMBL3545327

CCN(CC)c1nccc(Oc2cccc(/C=C/C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
RET P07949 2/20 0.46
CDK8 P49336 5/20 0.46
NAMPT P43490 1/20 0.45
RAF1 P04049 6/20 0.44
BRAF P15056 2/20 0.44
CCNC P24863 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PLK4 O00444 1/20 0.42
CIT O14578 1/20 0.42
AURKA O14965 1/20 0.42
MUSK O15146 1/20 0.42
EPHB6 O15197 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3545330 1.00 KDR (0.49) KDRRETCDK8NAMPTRAF1
SCHEMBL3538984 0.87 KDR (0.46) KDRRETCDK8NAMPTRAF1
SCHEMBL3538987 0.87 KDR (0.46) KDRRETCDK8NAMPTRAF1
SCHEMBL3548740 0.84 KDR (0.49) KDRRETCDK8NAMPTRAF1
SCHEMBL3548737 0.84 KDR (0.49) KDRRETCDK8NAMPTRAF1
SCHEMBL3549413 0.84 KDR (0.46) KDRRETCDK8NAMPTRAF1
SCHEMBL3549408 0.84 KDR (0.46) KDRRETCDK8NAMPTRAF1
SCHEMBL3547742 0.83 KDR (0.49) KDRRETCDK8NAMPTRAF1
SCHEMBL3547747 0.83 KDR (0.49) KDRRETCDK8NAMPTRAF1
SCHEMBL3543475 0.83 KDR (0.45) KDRRETCDK8NAMPTRAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
US-7820697-B2 Compositions and method for reducing TNFα levels CELGENE CORPORATION (US) 2010-10-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20080287496-A1 1-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels CELGENE CORPORATION 2008-11-20 US disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
US-20060030592-A1 I-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels CELGENE CORPORATION 2006-02-09 US disclosed
EP-1064277-B1 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF INFLAMMATORY CYTOKINES CELGENE CORP (US) 2005-06-15 EP disclosed
EP-1357120-A1 2-(2,6-dioxopiperidin-3-yl)isoindoline derivatives, their preparation and their use as inhibitors of inflammatory cytokines CELGENE CORPORATION (US) 2003-10-29 EP disclosed
US-20030028028-A1 1-oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels CELGENE CORPORATION 2003-02-06 US disclosed
US-6403613-B1 ANTI-INFLAMMATORY AGENT THAT REDUCES LEVELS OF CYTOKINES (INCLUDING TUMOR NECROSIS FACTOR) CELGENE CORPORATION 2002-06-11 US disclosed
US-20010006973-A1 1-OXO- AND 1,3-DIOXOISOINDOLINES AND METHOD OF REDUCING INFLAMMATORY CYTOKINE LEVELS MAN HON-WAH (US) 2001-07-05 US disclosed
EP-1064277-A1 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF INFLAMMATORY CYTOKINES Gelgene Corporation (US) 2001-01-03 EP disclosed
WO-1999047512-A1 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF INFLAMMATORY CYTOKINES COLGENE CORPORATION (US) 1999-09-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060030592-A1 I-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels IL1A, IL1B, TNF KDR 4114/4885RET 4390/4885CDK8 3620/4885
US-20080287496-A1 1-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels IL1A, IL1B, TNF KDR 4009/4885RET 4441/4885CDK8 3764/4885
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 KDR 729/4885RET 252/4885CDK8 501/4885
US-20010006973-A1 1-OXO- AND 1,3-DIOXOISOINDOLINES AND METHOD OF REDUCING INFLAMMATORY CYTOKINE LEVELS TNF, IL1A, IL1B KDR 3998/4885RET 4369/4885CDK8 3741/4885
US-20030028028-A1 1-oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels TNF, IL1A, IL1B KDR 3998/4885RET 4369/4885CDK8 3741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.